Analyte Name

21-O-Acetyl 6alpha-Hydroxy Cortisol

CAS Number

67012-81-1

Molecular Formula

C23H32O7

Molecular Weight

420.5

Accurate Mass

420.2148

SMILES

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

InChI

InChI=1S/C23H32O7/c1-12(24)30-11-19(28)23(29)7-5-15-14-9-17(26)16-8-13(25)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h8,14-15,17-18,20,26-27,29H,4-7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1

IUPAC

[2-oxo-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat